methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate

C15H13N5O2 — CID 67985514

IUPACmethyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3nc(N)ncc3c2)cnc1N
InChIInChI=1S/C15H13N5O2/c1-22-14(21)11-5-9(6-18-13(11)16)8-2-3-12-10(4-8)7-19-15(17)20-12/h2-7H,1H3,(H2,16,18)(H2,17,19,20)
InChIKeyMSZZIGUMKYOILE-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.64
Rot. Bonds2

About methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate

methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate (PubChem CID 67985514) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate
PubChem CID67985514
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Namemethyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3nc(N)ncc3c2)cnc1N
InChIInChI=1S/C15H13N5O2/c1-22-14(21)11-5-9(6-18-13(11)16)8-2-3-12-10(4-8)7-19-15(17)20-12/h2-7H,1H3,(H2,16,18)(H2,17,19,20)
InChIKeyMSZZIGUMKYOILE-UHFFFAOYSA-N
XLogP1.64
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate (CID 67985514) is methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate is COC(=O)c1cc(-c2ccc3nc(N)ncc3c2)cnc1N.
What is the InChIKey of methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate?
The InChIKey is MSZZIGUMKYOILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-14(21)11-5-9(6-18-13(11)16)8-2-3-12-10(4-8)7-19-15(17)20-12/h2-7H,1H3,(H2,16,18)(H2,17,19,20).
What are the key properties of methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate?
methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2-aminoquinazolin-6-yl)pyridine-3-carboxylate is sourced from PubChem (CID 67985514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).